4-N-[5-chloro-4-[2-(2-methylpropylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[5-chloro-4-[2-(pyridin-3-ylmethylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[4-[2-(2-methylpropylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine

C62H82Cl2N16 — CID 88919450

IUPAC4-N-[5-chloro-4-[2-(2-methylpropylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[5-chloro-4-[2-(pyridin-3-ylmethylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[4-[2-(2-methylpropylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
SMILESCC(C)CNc1cc(-c2cc(NC3CCC(N)CC3)ncc2Cl)ccn1.CC(C)CNc1cc(-c2ccnc(NC3CCC(N)CC3)c2)ccn1.NC1CCC(Nc2cc(-c3ccnc(NCc4cccnc4)c3)c(Cl)cn2)CC1
InChIInChI=1S/C22H25ClN6.C20H28ClN5.C20H29N5/c23-20-14-28-22(29-18-5-3-17(24)4-6-18)11-19(20)16-7-9-26-21(10-16)27-13-15-2-1-8-25-12-15;1-13(2)11-24-19-9-14(7-8-23-19)17-10-20(25-12-18(17)21)26-16-5-3-15(22)4-6-16;1-14(2)13-24-19-11-15(7-9-22-19)16-8-10-23-20(12-16)25-18-5-3-17(21)4-6-18/h1-2,7-12,14,17-18H,3-6,13,24H2,(H,26,27)(H,28,29);7-10,12-13,15-16H,3-6,11,22H2,1-2H3,(H,23,24)(H,25,26);7-12,14,17-18H,3-6,13,21H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyKOQCLHPLJOJPNU-UHFFFAOYSA-N
MW1122.36 g/mol
LogP12.93
Rot. Bonds18

About 4-N-[5-chloro-4-[2-(2-methylpropylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[5-chloro-4-[2-(pyridin-3-ylmethylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[4-[2-(2-methylpropylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine

4-N-[5-chloro-4-[2-(2-methylpropylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[5-chloro-4-[2-(pyridin-3-ylmethylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[4-[2-(2-methylpropylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine (PubChem CID 88919450) has the molecular formula C62H82Cl2N16 and a molecular weight of 1122.36 g/mol. Its IUPAC name is 4-N-[5-chloro-4-[2-(2-methylpropylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[5-chloro-4-[2-(pyridin-3-ylmethylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[4-[2-(2-methylpropylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[5-chloro-4-[2-(2-methylpropylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[5-chloro-4-[2-(pyridin-3-ylmethylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[4-[2-(2-methylpropylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
PubChem CID88919450
Molecular FormulaC62H82Cl2N16
Molecular Weight1122.36 g/mol
Exact Mass1120.63
IUPAC Name4-N-[5-chloro-4-[2-(2-methylpropylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[5-chloro-4-[2-(pyridin-3-ylmethylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[4-[2-(2-methylpropylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
SMILESCC(C)CNc1cc(-c2cc(NC3CCC(N)CC3)ncc2Cl)ccn1.CC(C)CNc1cc(-c2ccnc(NC3CCC(N)CC3)c2)ccn1.NC1CCC(Nc2cc(-c3ccnc(NCc4cccnc4)c3)c(Cl)cn2)CC1
InChIInChI=1S/C22H25ClN6.C20H28ClN5.C20H29N5/c23-20-14-28-22(29-18-5-3-17(24)4-6-18)11-19(20)16-7-9-26-21(10-16)27-13-15-2-1-8-25-12-15;1-13(2)11-24-19-9-14(7-8-23-19)17-10-20(25-12-18(17)21)26-16-5-3-15(22)4-6-16;1-14(2)13-24-19-11-15(7-9-22-19)16-8-10-23-20(12-16)25-18-5-3-17(21)4-6-18/h1-2,7-12,14,17-18H,3-6,13,24H2,(H,26,27)(H,28,29);7-10,12-13,15-16H,3-6,11,22H2,1-2H3,(H,23,24)(H,25,26);7-12,14,17-18H,3-6,13,21H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyKOQCLHPLJOJPNU-UHFFFAOYSA-N
XLogP12.93
TPSA240.47 Ų
H-Bond Donors9
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms80
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001122.36
LogP ≤ 512.93
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1016

Analyze 4-N-[5-chloro-4-[2-(2-methylpropylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[5-chloro-4-[2-(pyridin-3-ylmethylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[4-[2-(2-methylpropylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-N-[5-chloro-4-[2-[(4-chlorophenyl)methylamino]-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[5-chloro-4-[2-[(2,3-difluorophenyl)methylamino]-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[5-chloro-4-[2-[(2,4-difluorophenyl)methylamino]-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[5-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 173468591
4-N-[5-chloro-4-[2-(3-methylbutylamino)-4-pyridinyl]pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 123154364
4-N-[4-[5-chloro-2-[(3-fluorophenyl)methylamino]pyrimidin-4-yl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 123237278
4-[2-[(4-aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine
CID 67691819
5-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3,5-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3-fluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-N-piperidin-4-yl-4-[2-(pyridin-4-ylmethylamino)-4-pyridinyl]pyridin-2-amine
CID 173468588
4-N-[5-chloro-4-[2-fluoro-5-[(3-fluorophenyl)methylamino]phenyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 67691259
5-chloro-N-cyclopropyl-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]pyridin-2-amine
CID 67641420
4-N-[4-[4-[(3-fluorophenyl)methylamino]pyrimidin-2-yl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 88919446
4-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 40787521
4-N-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 50906393
4-N-[4-[2-ethyl-3-[(3-fluorophenyl)methylamino]-5-(trifluoromethyl)phenyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 123884019
4-N-[5-chloro-4-[6-methyl-5-(oxan-4-ylmethylamino)-3-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 67641396

Frequently Asked Questions

What is the IUPAC name of 4-N-[5-chloro-4-[2-(2-methylpropylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[5-chloro-4-[2-(pyridin-3-ylmethylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[4-[2-(2-methylpropylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[5-chloro-4-[2-(2-methylpropylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[5-chloro-4-[2-(pyridin-3-ylmethylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[4-[2-(2-methylpropylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine (CID 88919450) is 4-N-[5-chloro-4-[2-(2-methylpropylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[5-chloro-4-[2-(pyridin-3-ylmethylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[4-[2-(2-methylpropylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[5-chloro-4-[2-(2-methylpropylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[5-chloro-4-[2-(pyridin-3-ylmethylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[4-[2-(2-methylpropylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[5-chloro-4-[2-(2-methylpropylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[5-chloro-4-[2-(pyridin-3-ylmethylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[4-[2-(2-methylpropylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine is CC(C)CNc1cc(-c2cc(NC3CCC(N)CC3)ncc2Cl)ccn1.CC(C)CNc1cc(-c2ccnc(NC3CCC(N)CC3)c2)ccn1.NC1CCC(Nc2cc(-c3ccnc(NCc4cccnc4)c3)c(Cl)cn2)CC1.
What is the InChIKey of 4-N-[5-chloro-4-[2-(2-methylpropylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[5-chloro-4-[2-(pyridin-3-ylmethylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[4-[2-(2-methylpropylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine?
The InChIKey is KOQCLHPLJOJPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6.C20H28ClN5.C20H29N5/c23-20-14-28-22(29-18-5-3-17(24)4-6-18)11-19(20)16-7-9-26-21(10-16)27-13-15-2-1-8-25-12-15;1-13(2)11-24-19-9-14(7-8-23-19)17-10-20(25-12-18(17)21)26-16-5-3-15(22)4-6-16;1-14(2)13-24-19-11-15(7-9-22-19)16-8-10-23-20(12-16)25-18-5-3-17(21)4-6-18/h1-2,7-12,14,17-18H,3-6,13,24H2,(H,26,27)(H,28,29);7-10,12-13,15-16H,3-6,11,22H2,1-2H3,(H,23,24)(H,25,26);7-12,14,17-18H,3-6,13,21H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 4-N-[5-chloro-4-[2-(2-methylpropylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[5-chloro-4-[2-(pyridin-3-ylmethylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[4-[2-(2-methylpropylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine?
4-N-[5-chloro-4-[2-(2-methylpropylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[5-chloro-4-[2-(pyridin-3-ylmethylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[4-[2-(2-methylpropylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine has a molecular weight of 1122.36 g/mol, XLogP of 12.93, 18 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[5-chloro-4-[2-(2-methylpropylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[5-chloro-4-[2-(pyridin-3-ylmethylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[4-[2-(2-methylpropylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 88919450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).